1-[(3R)-1-benzyl-3,4-dihydro-2H-quinolin-3-yl]ethanone

C18H19NO — CID 22882347

IUPAC1-[(3R)-1-benzyl-3,4-dihydro-2H-quinolin-3-yl]ethanone
SMILESCC(=O)[C@@H]1Cc2ccccc2N(Cc2ccccc2)C1
InChIInChI=1S/C18H19NO/c1-14(20)17-11-16-9-5-6-10-18(16)19(13-17)12-15-7-3-2-4-8-15/h2-10,17H,11-13H2,1H3/t17-/m1/s1
InChIKeyVLUSRWBBWKRYEW-QGZVFWFLSA-N
MW265.36 g/mol
LogP3.45
Rot. Bonds3

About 1-[(3R)-1-benzyl-3,4-dihydro-2H-quinolin-3-yl]ethanone

1-[(3R)-1-benzyl-3,4-dihydro-2H-quinolin-3-yl]ethanone (PubChem CID 22882347) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[(3R)-1-benzyl-3,4-dihydro-2H-quinolin-3-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-1-benzyl-3,4-dihydro-2H-quinolin-3-yl]ethanone
PubChem CID22882347
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name1-[(3R)-1-benzyl-3,4-dihydro-2H-quinolin-3-yl]ethanone
SMILESCC(=O)[C@@H]1Cc2ccccc2N(Cc2ccccc2)C1
InChIInChI=1S/C18H19NO/c1-14(20)17-11-16-9-5-6-10-18(16)19(13-17)12-15-7-3-2-4-8-15/h2-10,17H,11-13H2,1H3/t17-/m1/s1
InChIKeyVLUSRWBBWKRYEW-QGZVFWFLSA-N
XLogP3.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(3R)-1-benzyl-3,4-dihydro-2H-quinolin-3-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-benzyl-3,4-dihydro-2H-quinolin-3-yl]ethanone?
The IUPAC name of 1-[(3R)-1-benzyl-3,4-dihydro-2H-quinolin-3-yl]ethanone (CID 22882347) is 1-[(3R)-1-benzyl-3,4-dihydro-2H-quinolin-3-yl]ethanone.
What is the SMILES notation for 1-[(3R)-1-benzyl-3,4-dihydro-2H-quinolin-3-yl]ethanone?
The canonical SMILES for 1-[(3R)-1-benzyl-3,4-dihydro-2H-quinolin-3-yl]ethanone is CC(=O)[C@@H]1Cc2ccccc2N(Cc2ccccc2)C1.
What is the InChIKey of 1-[(3R)-1-benzyl-3,4-dihydro-2H-quinolin-3-yl]ethanone?
The InChIKey is VLUSRWBBWKRYEW-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H19NO/c1-14(20)17-11-16-9-5-6-10-18(16)19(13-17)12-15-7-3-2-4-8-15/h2-10,17H,11-13H2,1H3/t17-/m1/s1.
What are the key properties of 1-[(3R)-1-benzyl-3,4-dihydro-2H-quinolin-3-yl]ethanone?
1-[(3R)-1-benzyl-3,4-dihydro-2H-quinolin-3-yl]ethanone has a molecular weight of 265.36 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-benzyl-3,4-dihydro-2H-quinolin-3-yl]ethanone is sourced from PubChem (CID 22882347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).